#====================================================================== # CRYSTAL DATA #---------------------------------------------------------------------- _chemical_formula_structural 'Si N' _cell_length_a 2.86128 _cell_length_b 2.87045 _cell_length_c 6.88192 _cell_angle_alpha 86.50457 _cell_angle_beta 84.16361 _cell_angle_gamma 60.11573 _symmetry_space_group_name_H-M 'P -1' _symmetry_Int_Tables_number 2 loop_ _atom_site_label _atom_site_type_symbol _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv SI1 Si 1.0 0.04118 0.00147 -0.67137 Biso 1.000 N1 N 1.0 -0.27391 1.66950 -0.74708 Biso 1.000